Geometry & MOs

Info

ID:	37518
PubChem CID:	8021817
Reduced:	ClNO2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	394.048712
ΔH_f, kcal/mol:	-124.46
Dipole, Da:	1.37
IP(EA), eV:	-9.53(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations